[2-oxidanylidene-2-(pentylamino)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C16H18FNO3S/c1-2-3-4-7-18-15(19)10-21-16(20)14-9-11-8-12(17)5-6-13(11)22-14/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)